10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

C19H18N4O3S2 — CID 7876809

IUPAC10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
SMILESCCCn1c(SCc2nnc(-c3ccco3)o2)nc2sc3c(c2c1=O)CCC3
InChIInChI=1S/C19H18N4O3S2/c1-2-8-23-18(24)15-11-5-3-7-13(11)28-17(15)20-19(23)27-10-14-21-22-16(26-14)12-6-4-9-25-12/h4,6,9H,2-3,5,7-8,10H2,1H3
InChIKeyPGZNDKCXIRAPSR-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.29
Rot. Bonds6

About 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (PubChem CID 7876809) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.

Molecular Properties

Compound Name10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
PubChem CID7876809
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
SMILESCCCn1c(SCc2nnc(-c3ccco3)o2)nc2sc3c(c2c1=O)CCC3
InChIInChI=1S/C19H18N4O3S2/c1-2-8-23-18(24)15-11-5-3-7-13(11)28-17(15)20-19(23)27-10-14-21-22-16(26-14)12-6-4-9-25-12/h4,6,9H,2-3,5,7-8,10H2,1H3
InChIKeyPGZNDKCXIRAPSR-UHFFFAOYSA-N
XLogP4.29
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 24577370
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 112773784
10-[(3-bromophenyl)methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 18229141
2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
CID 7558097
10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 7876927
10-[(4-aminoquinazolin-2-yl)methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 27921418
(2S)-N-(furan-2-ylmethyl)-2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]propanamide
CID 7558081
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 8570503
10-[(2-methoxy-5-methylphenyl)methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 7605223
10-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 7876997
2-benzylsulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 3129010
3-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 1051704

Frequently Asked Questions

What is the IUPAC name of 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The IUPAC name of 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (CID 7876809) is 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
What is the SMILES notation for 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The canonical SMILES for 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is CCCn1c(SCc2nnc(-c3ccco3)o2)nc2sc3c(c2c1=O)CCC3.
What is the InChIKey of 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The InChIKey is PGZNDKCXIRAPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-2-8-23-18(24)15-11-5-3-7-13(11)28-17(15)20-19(23)27-10-14-21-22-16(26-14)12-6-4-9-25-12/h4,6,9H,2-3,5,7-8,10H2,1H3.
What are the key properties of 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one has a molecular weight of 414.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is sourced from PubChem (CID 7876809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).